β-D-Glucopyranosyl β-D-Glucopyranosyl-(1->2)-1-C-{[5-Hydroxy-4-(Hydroxymethyl)-6-Methyl-3-Pyridinyl]Methyl}-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C26H41NO18
IUPAC Name (2s,3r,4s,5s,6r)-2-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl]-6-(hydroxymethyl)-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 655.600 g·mol−1
Heat of Formation -3308.4 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 716.17 Å 3
Surface Area 483.3 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl]-6-methylol-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl]-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridin-3-yl]methyl]-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl]-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl]-6-(hydroxymethyl)-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • 5'-o-(glucotriosyl)pyridoxine
  • 5-gtpd
  • beta-d-glucopyranoside, (5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl)methyl o-beta-d-glucopyranosyl-(1-4)-o-beta-d-glucopyranosyl-(1-4)-
CAS Number(s)
  • 116169-16-5
InChIKey JYTHSXFFRSRXHJ-XAHHDDRHSA-N
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